N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine

C16H26N4O — CID 115973572

IUPACN-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
SMILESCCOc1cc(C)nc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-21-15-10-12(2)18-16(19-15)20-8-6-14(7-9-20)17-11-13-4-5-13/h10,13-14,17H,3-9,11H2,1-2H3
InChIKeyZAYHIQGLKYHYRL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine (PubChem CID 115973572) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
PubChem CID115973572
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
SMILESCCOc1cc(C)nc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-3-21-15-10-12(2)18-16(19-15)20-8-6-14(7-9-20)17-11-13-4-5-13/h10,13-14,17H,3-9,11H2,1-2H3
InChIKeyZAYHIQGLKYHYRL-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
N-(cyclopropylmethyl)-1-(6-ethoxypyrazin-2-yl)piperidin-4-amine
CID 115307461
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
N-(cyclopropylmethyl)-1-(5,6-dimethylpyrazin-2-yl)piperidin-4-amine
CID 114476593
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine (CID 115973572) is N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine is CCOc1cc(C)nc(N2CCC(NCC3CC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine?
The InChIKey is ZAYHIQGLKYHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-21-15-10-12(2)18-16(19-15)20-8-6-14(7-9-20)17-11-13-4-5-13/h10,13-14,17H,3-9,11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 115973572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).